| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:44 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12INO4 |
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| Molecular Mass | 360.9811 |
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| SMILES | COc1cc(C=CC(=O)NCC(=O)O)ccc1I |
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| InChI Key | FRJIBYPFSCOIGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesaryl iodidescarbonyl compoundscarboxylic acidscinnamic acids and derivativeshydrocarbon derivativesiodobenzenesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodidecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupmethoxybenzenen-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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